7-amino-N,N-dimethyl-3H-phenothiazin-3-iminium chloride

• ChemBase ID: 103040
• Molecular Formular: C14H14ClN3S
• Molecular Mass: 291.79906
• Monoisotopic Mass: 291.05969614
• SMILES: [Cl-].C[N+](=c1ccc2nc3c(sc2c1)cc(N)cc3)C
• Canonical SMILES: Nc1ccc2c(c1)sc1c(n2)ccc(=[N+](C)C)c1.[Cl-]
• InChI: InChI=1S/C14H13N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8,15H,1-2H3;1H
• InChIKey: NALREUIWICQLPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-N,N-dimethyl-3H-phenothiazin-3-iminium chloride
• IUPAC Traditional name: 7-amino-N,N-dimethylphenothiazin-3-iminium chloride
• Synonyms: AZUR A; Azure A eosinate; 3-Amino-7-(Dimethylamino)Phenothiazin-5-ium Chloride; C.I. 52005; Asym-Dimethyl-3,7-Diaminophenazathionium Chloride; Dimethylthionine; AZURE A; Azure A chloride

Database IDs

• CAS Number: 62298-43-5; 531-53-3
• EC Number: 263-491-2; 208-510-7
• MDL Number: MFCD00012112
• Beilstein Number: 3922287
• PubChem SID: 162090345; 24890705; 24891073; 24851350
• PubChem CID: 13735
• Color Index Number: 52005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5595349
• LogD (pH = 7.4): -1.5567806
• Log P: -1.5567454
• Molar Refractivity: 94.1528 cm^3
• Polarizability: 29.047419 Å^3
• Polar Surface Area: 41.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 290 °C (dec.)(lit.); 290°C
• Absorption Wavelength: λmax 522 nm (2nd); λmax 628 nm; λmax 633 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SP5660000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: Dye Content ~80%
• Grade: certified by the Biological Stain Commission; for microscopy
• Compostion: Dye content, ~80%; Dye content, ≥75%; Dye content, 70%
• Empirical Formula (Hill Notation): C14H14ClN3S

DETAILS

MP Biomedicals - 05210686

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150416

C.I. 52005
Dye content: ~ 80%
Used for staining cell granules,
microorganisms and tissues.

Sigma Aldrich - A2918

Packaging
25 g in glass bottle
Suitability
Certified for use in Lillie′s modified Nocht′s method for paraffin sections and the NCCLS method for blood smears.

Sigma Aldrich - A6270

Packaging
10, 50 g in glass bottle

Sigma Aldrich - 200212

Packaging
25 g in glass bottle

Sigma Aldrich - 861049

Packaging
1, 5, 25 g in glass bottle
Suitability
Certified for use in Lillie′s modified Nocht′s method and the NCCLS method for blood smears.

REFERENCES

• The Blakiston Co., New York, N.Y., "Histopathologic Technic and Practical Histochemistry," 118, (1954).